N-[(Z)-1-(4-methylsulfanylphenyl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-1-(4-methylsulfanylphenyl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-2-(4-methylsulfanylphenyl)-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]benzamide CAS Name: N-[(Z)-1-[4-(methylthio)phenyl]-3-[2-(4-morpholin-4-iumyl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-1-(4-methylsulfanylphenyl)-3-(2-morpholin-4-ium-4-ylethylamino)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-2-[4-(methylthio)phenyl]-1-(2-morpholin-4-ium-4-ylethylcarbamoyl)vinyl]benzamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C(=O)NCC[NH+]2CCOCC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(/C(=O)NCC[NH+]2CCOCC2)\NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O3S/c1-30-20-9-7-18(8-10-20)17-21(25-22(27)19-5-3-2-4-6-19)23(28)24-11-12-26-13-15-29-16-14-26/h2-10,17H,11-16H2,1H3,(H,24,28)(H,25,27)/p+1/b21-17-